CID 23872020

Dtxsid60904191

Structural Information

Molecular Formula
C20H32O4
SMILES
CC(=CCC/C(=C\CC/C(=C/CC/C(=C/CO)/CO)/C)/C(=O)O)C
InChI
InChI=1S/C20H32O4/c1-16(2)7-4-11-19(20(23)24)12-6-9-17(3)8-5-10-18(15-22)13-14-21/h7-8,12-13,21-22H,4-6,9-11,14-15H2,1-3H3,(H,23,24)/b17-8+,18-13-,19-12+
InChIKey
GWVCYAYKRPLWGK-AAMZJHKISA-N
Compound name
(2E,6E,10Z)-12-hydroxy-10-(hydroxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.237346 190.0
[M+Na]+ 359.219288 190.7
[M-H]- 335.222794 184.0
[M+NH4]+ 354.263893 201.2
[M+K]+ 375.193228 185.7
[M+H-H2O]+ 319.227330 184.1
[M+HCOO]- 381.228271 201.7
[M+CH3COO]- 395.243921 206.9
[M+Na-2H]- 357.204736 182.0
[M]+ 336.22952142 189.5
[M]- 336.23061858 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.